#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyc s ALA 2 N 0.00 3.36 -1.21 0.62 0.00 -1.26 -4.96 121.76 118.31 2jyc s ALA 2 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 2jyc s ALA 2 Cb 0.00 -2.91 0.05 0.00 0.00 0.00 0.00 23.12 20.26 2jyc s ALA 2 CO 0.00 0.29 1.68 -1.54 0.00 0.00 0.00 175.76 176.18 2jyc s SER 3 N -1.66 6.60 -0.17 0.00 1.04 -1.26 -4.92 113.70 113.32 2jyc s SER 3 Ca 0.45 -2.08 -0.05 0.00 0.48 0.00 0.00 55.95 54.75 2jyc s SER 3 Cb -0.17 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 2jyc s SER 3 CO 0.21 -1.42 -0.01 -0.44 0.98 0.00 0.00 173.24 172.57 2jyc s SER 4 N 4.66 4.99 -0.07 7.02 0.01 -1.26 -5.09 113.70 123.96 2jyc s SER 4 Ca 0.53 -0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.63 2jyc s SER 4 Cb 0.02 -1.83 0.02 0.00 0.21 0.00 0.00 66.02 64.45 2jyc s SER 4 CO 0.03 0.15 0.19 -0.22 0.41 0.00 0.00 173.24 173.80 2jyc s LEU 5 N 0.50 1.13 -0.65 2.44 2.96 -1.26 -5.09 118.68 118.71 2jyc s LEU 5 Ca -0.01 0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 2jyc s LEU 5 Cb -0.14 0.62 0.16 0.00 0.50 0.00 0.00 46.19 47.34 2jyc s LEU 5 CO 0.02 -0.09 0.45 0.54 -1.32 0.00 0.00 176.35 175.96 2jyc s ASN 6 N 0.34 5.13 0.26 3.68 2.20 -1.26 -4.89 114.94 120.41 2jyc s ASN 6 Ca -0.02 -3.05 0.07 0.00 -0.94 0.00 0.00 52.86 48.92 2jyc s ASN 6 Cb -0.03 -1.81 -0.04 0.00 -2.00 0.00 0.00 41.25 37.37 2jyc s ASN 6 CO -0.01 -0.30 0.20 -1.83 -2.94 0.00 0.00 177.10 172.21 2jyc s GLU 7 N -0.35 2.87 -0.20 3.55 1.03 -1.26 -5.10 118.70 119.24 2jyc s GLU 7 Ca 0.19 -1.10 -0.07 0.00 0.03 0.00 0.00 54.97 54.02 2jyc s GLU 7 Cb -0.19 -2.53 -0.04 0.00 -0.80 0.00 0.00 34.13 30.57 2jyc s GLU 7 CO -0.04 0.37 0.07 -0.51 -1.33 0.00 0.00 175.26 173.81 2jyc s ASP 8 N -3.85 5.48 1.01 0.83 1.01 -1.26 -5.00 116.67 114.89 2jyc s ASP 8 Ca 0.34 -0.01 -0.02 0.00 0.71 0.00 0.00 52.55 53.56 2jyc s ASP 8 Cb -0.08 -1.95 0.03 0.00 1.01 0.00 0.00 42.92 41.94 2jyc s ASP 8 CO 0.25 0.11 0.16 -2.65 0.21 0.00 0.00 175.17 173.25 2jyc n PRO 9 N 3.97 -0.61 -3.32 8.23 -0.02 -1.26 -5.07 135.00 136.93 2jyc n PRO 9 Ca -0.16 -0.25 0.03 0.00 -2.02 0.00 0.00 63.50 61.09 2jyc n PRO 9 Cb 0.52 -0.19 -0.03 0.00 -0.02 0.00 0.00 33.50 33.78 2jyc n PRO 9 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2jyc s GLU 10 N -3.35 0.28 -0.30 -0.52 2.12 -1.26 -5.13 118.70 110.55 2jyc s GLU 10 Ca 0.09 0.65 -0.00 0.00 0.36 0.00 0.00 54.97 56.07 2jyc s GLU 10 Cb -0.01 0.38 0.19 0.00 0.26 0.00 0.00 34.13 34.96 2jyc s GLU 10 CO 0.07 -0.16 0.69 0.20 -0.54 0.00 0.00 175.26 175.52 2jyc s GLY 11 N 2.59 -1.04 0.00 -1.50 0.00 -1.26 -4.37 107.32 101.73 2jyc s GLY 11 Ca -0.00 1.63 0.00 0.00 0.00 0.00 0.00 44.72 46.34 2jyc s GLY 11 CO -0.16 3.64 0.76 -1.26 0.00 0.00 0.00 173.10 176.08 2jyc n SER 12 N 5.39 0.00 0.04 1.64 2.88 -1.26 -3.90 113.62 118.41 2jyc n SER 12 Ca 0.02 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 2jyc n SER 12 Cb 0.53 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2jyc n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jyc n ARG 13 N -1.83 0.00 -3.94 -1.46 5.12 -1.26 -4.68 116.66 108.61 2jyc n ARG 13 Ca 0.00 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.68 2jyc n ARG 13 Cb 0.00 -0.49 -0.17 0.00 -1.16 0.00 0.00 32.46 30.64 2jyc n ARG 13 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jyc s ILE 14 N -2.00 0.69 -0.02 0.55 1.01 -1.26 -3.19 121.20 116.98 2jyc s ILE 14 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.62 2jyc s ILE 14 Cb 0.00 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 2jyc s ILE 14 CO 0.00 0.30 -0.25 -0.89 0.00 0.00 0.00 174.94 174.10 2jyc s THR 15 N 1.61 2.15 -0.21 2.92 2.01 -0.82 -4.99 115.64 118.31 2jyc s THR 15 Ca 0.01 -1.09 -0.07 0.00 0.31 0.00 0.00 61.69 60.85 2jyc s THR 15 Cb -0.13 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2jyc s THR 15 CO -0.05 0.57 0.05 -0.31 -0.69 0.00 0.00 174.62 174.19 2jyc s TYR 16 N -0.64 3.13 -0.06 4.92 2.02 -1.26 -0.04 117.35 125.43 2jyc s TYR 16 Ca 0.10 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2jyc s TYR 16 Cb -0.10 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2jyc s TYR 16 CO -0.01 -0.12 -0.13 0.08 -1.57 0.00 0.00 175.55 173.80 2jyc s VAL 17 N 0.97 1.14 -0.36 0.71 1.01 0.50 -4.97 120.40 119.40 2jyc s VAL 17 Ca 0.03 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 2jyc s VAL 17 Cb -0.14 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2jyc s VAL 17 CO 0.03 0.35 0.29 -1.59 0.00 0.00 0.00 175.10 174.18 2jyc s LYS 18 N 0.55 3.36 0.00 2.72 -2.85 -1.26 -0.96 119.74 121.30 2jyc s LYS 18 Ca -0.13 -0.70 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 2jyc s LYS 18 Cb -0.15 -3.86 0.00 0.00 -2.06 0.00 0.00 37.83 31.76 2jyc s LYS 18 CO 0.03 -0.56 0.00 0.41 0.10 0.00 0.00 175.35 175.33 2jyc n GLY 19 N 5.09 -0.82 3.78 0.59 0.00 -1.26 -4.99 105.19 107.58 2jyc n GLY 19 Ca -0.11 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 2jyc n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jyc s ASP 20 N -4.00 6.18 0.08 1.61 2.15 -1.26 -4.87 116.67 116.57 2jyc s ASP 20 Ca 0.00 0.30 -0.05 0.00 0.43 0.00 0.00 52.55 53.24 2jyc s ASP 20 Cb 0.00 -2.04 -0.25 0.00 -0.30 0.00 0.00 42.92 40.33 2jyc s ASP 20 CO 0.00 0.28 1.17 0.25 -0.17 0.00 0.00 175.17 176.69 2jyc h LEU 21 N 5.96 0.46 -0.26 -1.34 6.46 -1.97 -3.24 115.31 121.37 2jyc h LEU 21 Ca -0.46 -0.46 0.00 0.00 -0.12 0.00 0.00 57.88 56.83 2jyc h LEU 21 Cb 1.18 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 2jyc h LEU 21 CO 0.68 1.34 0.00 0.49 -0.62 0.00 0.00 178.44 180.33 2jyc n PHE 22 N -3.58 0.41 0.80 1.25 3.72 -1.26 -1.38 117.46 117.42 2jyc n PHE 22 Ca -0.08 0.15 0.06 0.00 -0.05 0.00 0.00 57.45 57.53 2jyc n PHE 22 Cb 0.99 -0.74 0.17 0.00 -0.94 0.00 0.00 39.48 38.95 2jyc n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jyc n ALA 23 N -1.64 2.45 -1.74 4.37 0.00 -1.22 -4.97 120.51 117.76 2jyc n ALA 23 Ca 0.04 -0.66 -0.37 0.00 0.00 0.00 0.00 53.44 52.45 2jyc n ALA 23 Cb 0.25 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 18.78 2jyc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyc n PRO 25 N -1.74 1.92 0.14 0.00 -0.02 -1.26 -4.87 135.00 129.17 2jyc n PRO 25 Ca 0.15 0.68 0.12 0.00 -2.02 0.00 0.00 63.50 62.42 2jyc n PRO 25 Cb 0.49 -2.23 0.51 0.00 -0.02 0.00 0.00 33.50 32.24 2jyc n PRO 25 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2jyc n LYS 26 N 1.00 0.18 0.13 -0.52 5.02 -1.26 -1.59 118.16 121.13 2jyc n LYS 26 Ca 0.08 0.46 0.12 0.00 -2.02 0.00 0.00 58.31 56.96 2jyc n LYS 26 Cb 0.34 -1.89 0.27 0.00 -0.02 0.00 0.00 35.03 33.73 2jyc n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jyc h THR 27 N 0.00 0.00 -3.51 -0.18 1.03 -1.94 -3.42 112.91 104.89 2jyc h THR 27 Ca 0.00 -0.67 -0.53 0.00 -0.01 0.00 0.00 66.41 65.20 2jyc h THR 27 Cb 0.29 1.57 -0.03 0.00 -1.07 0.00 0.00 68.15 68.91 2jyc h THR 27 CO 0.00 0.00 0.13 -1.81 -0.01 0.00 0.00 175.52 173.83 2jyc s ASP 28 N -5.04 7.24 0.47 0.00 1.01 -0.62 -4.66 116.67 115.07 2jyc s ASP 28 Ca 0.08 1.53 -0.02 0.00 0.71 0.00 0.00 52.55 54.84 2jyc s ASP 28 Cb 0.10 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 2jyc s ASP 28 CO 0.65 0.15 0.73 -0.44 0.21 0.00 0.00 175.17 176.48 2jyc s SER 29 N -1.32 5.98 -0.01 0.27 0.01 0.77 -4.76 113.70 114.64 2jyc s SER 29 Ca 0.38 0.58 0.07 0.00 1.31 0.00 0.00 55.95 58.29 2jyc s SER 29 Cb -0.20 -1.86 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 2jyc s SER 29 CO 0.23 -0.67 -0.23 -0.22 0.41 0.00 0.00 173.24 172.76 2jyc s LEU 30 N -4.66 2.07 0.05 2.44 0.20 0.09 -0.13 118.68 118.74 2jyc s LEU 30 Ca 0.48 -0.44 0.01 0.00 0.69 0.00 0.00 54.13 54.87 2jyc s LEU 30 Cb -0.10 -1.16 -0.03 0.00 -0.43 0.00 0.00 46.19 44.47 2jyc s LEU 30 CO 0.41 0.27 -0.05 0.00 -0.29 0.00 0.00 176.35 176.69 2jyc s ALA 31 N -0.58 0.52 0.06 5.97 0.00 0.61 0.62 121.76 128.96 2jyc s ALA 31 Ca 0.09 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 2jyc s ALA 31 Cb -0.09 0.16 0.09 0.00 0.00 0.00 0.00 23.12 23.28 2jyc s ALA 31 CO -0.00 -0.20 1.03 -3.38 0.00 0.00 0.00 175.76 173.21 2jyc s HIS 32 N -2.59 -0.16 -0.15 0.00 -3.43 0.12 -4.18 115.29 104.91 2jyc s HIS 32 Ca -0.02 -0.05 -0.08 0.00 -0.80 0.00 0.00 55.06 54.11 2jyc s HIS 32 Cb -0.02 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.68 2jyc s HIS 32 CO -0.04 -0.60 0.14 0.00 -2.00 0.00 0.00 174.74 172.24 2jyc s ILE 34 N -0.48 0.00 0.31 0.00 -4.36 0.55 -4.88 121.20 112.34 2jyc s ILE 34 Ca 0.12 -1.99 -0.00 0.00 -0.26 0.00 0.00 60.65 58.52 2jyc s ILE 34 Cb -0.12 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 2jyc s ILE 34 CO 0.02 0.00 0.52 -0.94 0.24 0.00 0.00 174.94 174.77 2jyc s SER 35 N -3.17 6.33 0.04 4.36 1.04 -1.26 -2.16 113.70 118.88 2jyc s SER 35 Ca 0.39 0.46 0.12 0.00 0.48 0.00 0.00 55.95 57.40 2jyc s SER 35 Cb 0.07 -2.04 0.52 0.00 0.10 0.00 0.00 66.02 64.67 2jyc s SER 35 CO 0.13 -0.23 1.38 -1.84 0.98 0.00 0.00 173.24 173.65 2jyc n GLU 36 N -1.48 0.03 0.02 4.02 0.28 -0.27 -0.94 120.64 122.31 2jyc n GLU 36 Ca -0.05 0.35 0.11 0.00 -0.16 0.00 0.00 57.16 57.42 2jyc n GLU 36 Cb 0.56 -1.56 0.09 0.00 1.43 0.00 0.00 31.44 31.95 2jyc n GLU 36 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jyc n ASP 37 N -1.62 0.63 -3.77 -1.84 2.03 -1.20 -4.88 116.55 105.91 2jyc n ASP 37 Ca 0.02 -0.23 -0.32 0.00 0.52 0.00 0.00 54.79 54.79 2jyc n ASP 37 Cb 0.12 0.58 0.02 0.00 -0.72 0.00 0.00 41.12 41.13 2jyc n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jyc h ARG 39 N -1.59 0.55 0.00 0.00 3.08 -1.94 -3.50 114.38 110.99 2jyc h ARG 39 Ca -0.62 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 58.91 2jyc h ARG 39 Cb 1.35 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2jyc h ARG 39 CO 0.45 1.15 0.00 -1.33 -1.07 0.00 0.00 179.97 179.17 2jyc n MET 40 N -3.83 0.00 0.00 0.04 2.81 -1.26 -4.91 117.12 109.97 2jyc n MET 40 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2jyc n MET 40 Cb 0.79 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.30 2jyc n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jyc n GLY 41 N 0.00 2.91 3.08 3.03 0.00 -1.26 -4.88 105.19 108.08 2jyc n GLY 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2jyc n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc s ALA 42 N -1.81 0.70 0.00 4.61 0.00 -1.26 -4.76 121.76 119.24 2jyc s ALA 42 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2jyc s ALA 42 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2jyc s ALA 42 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.19 2jyc n GLY 43 N 1.42 0.67 0.28 0.00 0.00 -1.26 -2.99 105.19 103.31 2jyc n GLY 43 Ca -0.22 -0.76 0.16 0.00 0.00 0.00 0.00 46.02 45.19 2jyc n GLY 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jyc h ILE 44 N 0.00 0.20 0.00 -0.61 2.10 -1.98 -3.02 117.51 114.20 2jyc h ILE 44 Ca 0.00 -0.55 -0.05 0.00 1.08 0.00 0.00 64.86 65.35 2jyc h ILE 44 Cb 0.00 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 37.17 2jyc h ILE 44 CO 0.00 0.06 -0.22 0.00 -1.08 0.00 0.00 178.15 176.91 2jyc h ALA 45 N 1.94 1.61 -0.20 0.18 0.00 -1.89 -2.55 119.26 118.35 2jyc h ALA 45 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2jyc h ALA 45 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jyc h ALA 45 CO 0.01 0.27 -0.19 -0.24 0.00 0.00 0.00 179.25 179.09 2jyc h VAL 46 N 0.00 1.23 -0.50 0.00 3.04 -1.57 0.37 116.25 118.83 2jyc h VAL 46 Ca -0.00 -1.05 0.01 0.00 -1.01 0.00 0.00 66.70 64.65 2jyc h VAL 46 Cb 0.39 1.29 -0.03 0.00 -2.01 0.00 0.00 31.29 30.94 2jyc h VAL 46 CO 0.03 0.33 0.32 -0.07 -1.01 0.00 0.00 177.57 177.17 2jyc h LEU 47 N 0.32 0.55 -0.55 3.16 -0.00 -1.64 0.19 115.31 117.33 2jyc h LEU 47 Ca 0.06 -0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 57.77 2jyc h LEU 47 Cb 0.53 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2jyc h LEU 47 CO 0.03 0.39 -0.65 -0.26 -0.00 0.00 0.00 178.44 177.96 2jyc h PHE 48 N 0.65 0.40 -0.06 1.13 -1.00 -1.38 0.32 116.94 117.01 2jyc h PHE 48 Ca 0.19 -0.16 0.04 0.00 2.81 0.00 0.00 57.97 60.84 2jyc h PHE 48 Cb -0.05 -0.07 -0.05 0.00 3.61 0.00 0.00 35.95 39.39 2jyc h PHE 48 CO -0.05 0.87 -0.22 -0.22 -1.61 0.00 0.00 178.31 177.08 2jyc h LYS 49 N 0.22 -0.30 -0.01 1.51 1.63 -0.78 0.43 116.57 119.27 2jyc h LYS 49 Ca -0.01 0.02 -0.20 0.00 -0.85 0.00 0.00 60.65 59.61 2jyc h LYS 49 Cb 1.18 0.07 0.02 0.00 -0.60 0.00 0.00 32.23 32.90 2jyc h LYS 49 CO 0.10 -0.20 -0.76 0.87 -3.45 0.00 0.00 179.45 176.01 2jyc h LYS 50 N -0.31 0.53 0.03 1.90 1.57 -0.68 -2.73 116.57 116.87 2jyc h LYS 50 Ca 0.08 -0.56 -0.18 0.00 -1.87 0.00 0.00 60.65 58.12 2jyc h LYS 50 Cb 0.42 0.16 0.02 0.00 0.08 0.00 0.00 32.23 32.90 2jyc h LYS 50 CO -0.24 1.19 -0.73 0.87 -0.57 0.00 0.00 179.45 179.97 2jyc h LYS 51 N 0.10 0.44 0.00 3.15 1.57 -0.35 -3.39 116.57 118.08 2jyc h LYS 51 Ca -0.09 -0.51 -0.07 0.00 -1.87 0.00 0.00 60.65 58.10 2jyc h LYS 51 Cb 1.45 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.90 2jyc h LYS 51 CO 0.15 1.17 -1.45 1.19 -0.57 0.00 0.00 179.45 179.94 2jyc n PHE 52 N -4.13 0.00 -2.46 -1.35 3.72 -0.01 -5.01 117.46 108.22 2jyc n PHE 52 Ca -0.11 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.11 2jyc n PHE 52 Cb 0.74 -0.28 -0.01 0.00 -0.94 0.00 0.00 39.48 38.99 2jyc n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jyc n GLY 53 N 2.29 -0.50 1.71 1.37 0.00 -0.31 -4.86 105.19 104.89 2jyc n GLY 53 Ca -0.07 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2jyc n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jyc n GLY 54 N -0.95 3.57 0.25 -0.02 0.00 -1.26 -4.35 105.19 102.43 2jyc n GLY 54 Ca -0.20 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 2jyc n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jyc h VAL 55 N 0.72 1.28 -0.31 1.61 2.07 -1.91 -2.21 116.25 117.50 2jyc h VAL 55 Ca 0.28 -1.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 2jyc h VAL 55 Cb 1.39 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2jyc h VAL 55 CO 0.61 0.53 -0.12 1.56 0.02 0.00 0.00 177.57 180.16 2jyc h GLN 56 N 0.65 0.53 -0.75 1.57 7.50 -1.98 -0.46 115.11 122.16 2jyc h GLN 56 Ca 0.04 -0.15 -0.05 0.00 0.50 0.00 0.00 58.65 58.99 2jyc h GLN 56 Cb 1.00 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 28.44 2jyc h GLN 56 CO 0.10 0.64 0.27 0.93 -1.50 0.00 0.00 178.83 179.27 2jyc h GLU 57 N 0.49 1.15 -0.05 1.46 5.08 -1.80 0.34 114.58 121.24 2jyc h GLU 57 Ca 0.09 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2jyc h GLU 57 Cb 0.50 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2jyc h GLU 57 CO 0.03 0.95 0.02 -0.07 -1.00 0.00 0.00 179.01 178.94 2jyc h LEU 58 N 1.10 0.08 -1.18 1.33 3.38 -0.77 -0.98 115.31 118.27 2jyc h LEU 58 Ca 0.25 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2jyc h LEU 58 Cb 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jyc h LEU 58 CO -0.02 0.26 -0.35 -0.07 0.09 0.00 0.00 178.44 178.35 2jyc h LEU 59 N -0.11 0.11 -1.43 1.67 3.38 -0.92 -1.02 115.31 116.98 2jyc h LEU 59 Ca 0.02 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2jyc h LEU 59 Cb 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2jyc h LEU 59 CO -0.00 0.46 -0.29 0.78 0.09 0.00 0.00 178.44 179.48 2jyc h ASN 60 N 0.09 0.00 1.70 -0.43 2.35 -0.11 -1.91 115.58 117.26 2jyc h ASN 60 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2jyc h ASN 60 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2jyc h ASN 60 CO 0.05 0.29 0.00 1.56 -1.65 0.00 0.00 177.43 177.68 2jyc h GLN 61 N 0.00 0.00 -5.81 0.81 4.20 0.04 -3.47 115.11 110.88 2jyc h GLN 61 Ca -0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 2jyc h GLN 61 Cb 0.55 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.19 2jyc h GLN 61 CO 0.04 0.00 -0.56 0.00 -0.67 0.00 0.00 178.83 177.64 2jyc n GLN 62 N -3.08 -2.76 -2.08 1.46 10.64 -0.55 -4.88 117.38 116.12 2jyc n GLN 62 Ca 0.03 0.33 -0.39 0.00 -1.83 0.00 0.00 57.00 55.13 2jyc n GLN 62 Cb 0.46 -4.98 -0.01 0.00 -0.86 0.00 0.00 30.24 24.85 2jyc n GLN 62 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2jyc s LYS 63 N -6.16 4.02 0.42 2.61 -0.14 -1.26 -5.01 119.74 114.22 2jyc s LYS 63 Ca 0.45 2.13 0.07 0.00 -1.36 0.00 0.00 55.97 57.26 2jyc s LYS 63 Cb -0.25 -2.78 -0.03 0.00 -1.68 0.00 0.00 37.83 33.09 2jyc s LYS 63 CO 0.55 -0.44 0.32 0.15 -0.76 0.00 0.00 175.35 175.17 2jyc s LYS 64 N -2.20 2.43 -0.22 1.68 -0.14 -1.26 -4.61 119.74 115.43 2jyc s LYS 64 Ca 0.56 -1.65 -0.32 0.00 -1.36 0.00 0.00 55.97 53.21 2jyc s LYS 64 Cb -0.37 -2.25 -0.09 0.00 -1.68 0.00 0.00 37.83 33.44 2jyc s LYS 64 CO 0.48 -0.19 2.13 -1.13 -0.76 0.00 0.00 175.35 175.88 2jyc n SER 65 N -1.47 3.02 0.00 2.83 3.41 -1.26 -0.61 113.62 119.54 2jyc n SER 65 Ca 0.02 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2jyc n SER 65 Cb 0.63 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2jyc n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jyc n GLY 66 N 5.66 1.11 3.59 5.00 0.00 -0.49 -4.99 105.19 115.06 2jyc n GLY 66 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 2jyc n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jyc s GLU 67 N -0.16 1.97 -0.04 1.61 2.02 0.22 -3.86 118.70 120.47 2jyc s GLU 67 Ca 0.00 -1.76 0.07 0.00 0.02 0.00 0.00 54.97 53.29 2jyc s GLU 67 Cb 0.00 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 2jyc s GLU 67 CO 0.00 0.19 -0.25 0.54 0.02 0.00 0.00 175.26 175.76 2jyc s VAL 68 N -2.52 2.01 -0.03 2.63 0.11 -1.26 -1.65 120.40 119.68 2jyc s VAL 68 Ca 0.33 -1.06 -0.03 0.00 -2.93 0.00 0.00 61.98 58.28 2jyc s VAL 68 Cb -0.01 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2jyc s VAL 68 CO 0.18 0.56 0.16 0.00 -3.33 0.00 0.00 175.10 172.67 2jyc s ALA 69 N -0.37 3.89 -0.01 1.54 0.00 0.27 -4.94 121.76 122.14 2jyc s ALA 69 Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2jyc s ALA 69 Cb -0.12 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.15 2jyc s ALA 69 CO 0.01 0.71 -0.00 0.54 0.00 0.00 0.00 175.76 177.03 2jyc s VAL 70 N -1.24 0.08 0.12 0.00 0.11 -1.26 -0.07 120.40 118.14 2jyc s VAL 70 Ca 0.24 0.02 0.10 0.00 -2.93 0.00 0.00 61.98 59.42 2jyc s VAL 70 Cb -0.12 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 2jyc s VAL 70 CO 0.15 0.06 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.97 2jyc s LEU 71 N 0.37 2.37 -0.14 2.54 1.43 -0.01 -4.93 118.68 120.31 2jyc s LEU 71 Ca -0.03 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 2jyc s LEU 71 Cb -0.05 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 2jyc s LEU 71 CO -0.01 0.19 -0.08 -0.75 0.23 0.00 0.00 176.35 175.93 2jyc s LYS 72 N -1.97 3.46 -0.15 1.70 2.20 -1.26 0.73 119.74 124.45 2jyc s LYS 72 Ca 0.14 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2jyc s LYS 72 Cb -0.10 -2.77 0.05 0.00 -1.51 0.00 0.00 37.83 33.50 2jyc s LYS 72 CO 0.06 0.28 0.01 0.50 -0.36 0.00 0.00 175.35 175.85 2jyc s ARG 73 N 0.22 0.73 1.61 4.03 6.06 0.52 -4.98 118.95 127.15 2jyc s ARG 73 Ca -0.05 -0.27 0.00 0.00 -2.50 0.00 0.00 55.73 52.91 2jyc s ARG 73 Cb -0.14 -1.75 0.00 0.00 0.06 0.00 0.00 34.95 33.11 2jyc s ARG 73 CO 0.04 -0.51 0.00 -0.25 -2.50 0.00 0.00 175.30 172.08 2jyc n ASP 74 N 5.06 0.00 0.00 -2.12 8.00 -1.26 -0.85 116.55 125.39 2jyc n ASP 74 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2jyc n ASP 74 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jyc n GLY 75 N 0.00 -0.21 3.60 0.44 0.00 -1.26 -5.07 105.19 102.70 2jyc n GLY 75 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2jyc n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jyc s ARG 76 N -0.13 2.09 0.01 1.61 1.70 -0.02 -4.98 118.95 119.22 2jyc s ARG 76 Ca 0.00 -1.60 0.04 0.00 -0.47 0.00 0.00 55.73 53.70 2jyc s ARG 76 Cb 0.00 -2.00 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 2jyc s ARG 76 CO 0.00 0.28 -0.11 0.71 -1.08 0.00 0.00 175.30 175.10 2jyc s TYR 77 N -2.43 2.78 -0.21 5.89 1.51 -1.26 -0.35 117.35 123.27 2jyc s TYR 77 Ca 0.32 -0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 56.21 2jyc s TYR 77 Cb -0.04 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2jyc s TYR 77 CO 0.19 0.32 0.02 0.42 -1.11 0.00 0.00 175.55 175.38 2jyc s ILE 78 N -0.94 4.03 -0.17 2.71 -1.09 0.22 -0.73 121.20 125.23 2jyc s ILE 78 Ca 0.16 -0.28 -0.06 0.00 -2.23 0.00 0.00 60.65 58.24 2jyc s ILE 78 Cb -0.11 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 2jyc s ILE 78 CO 0.06 0.40 0.03 -0.31 -1.23 0.00 0.00 174.94 173.89 2jyc s TYR 79 N 1.18 3.18 -0.42 3.97 1.51 0.20 -0.83 117.35 126.15 2jyc s TYR 79 Ca 0.03 -0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 2jyc s TYR 79 Cb -0.14 -2.03 0.11 0.00 -0.11 0.00 0.00 41.96 39.79 2jyc s TYR 79 CO 0.02 0.12 0.17 0.71 -1.11 0.00 0.00 175.55 175.46 2jyc s TYR 80 N 0.29 3.58 -0.17 2.71 1.51 0.90 -0.70 117.35 125.47 2jyc s TYR 80 Ca 0.01 -2.84 -0.29 0.00 -1.01 0.00 0.00 57.07 52.94 2jyc s TYR 80 Cb -0.13 -3.02 -0.02 0.00 -0.11 0.00 0.00 41.96 38.68 2jyc s TYR 80 CO 0.01 -0.91 1.38 -0.51 -1.11 0.00 0.00 175.55 174.41 2jyc s LEU 81 N 0.65 4.14 -0.52 -1.29 2.01 0.05 -0.57 118.68 123.14 2jyc s LEU 81 Ca 0.12 1.72 -0.23 0.00 0.01 0.00 0.00 54.13 55.76 2jyc s LEU 81 Cb -0.21 -3.54 0.04 0.00 0.01 0.00 0.00 46.19 42.49 2jyc s LEU 81 CO -0.05 -0.89 0.83 -0.63 1.01 0.00 0.00 176.35 176.63 2jyc s ILE 82 N 3.90 4.55 -0.09 -0.59 -1.09 -0.66 -0.33 121.20 126.89 2jyc s ILE 82 Ca 0.60 0.10 -0.02 0.00 -2.23 0.00 0.00 60.65 59.10 2jyc s ILE 82 Cb -0.24 -4.44 -0.01 0.00 -1.58 0.00 0.00 42.46 36.19 2jyc s ILE 82 CO 0.20 -0.97 0.09 0.71 -1.23 0.00 0.00 174.94 173.74 2jyc h THR 83 N 5.97 0.00 -3.10 2.92 1.35 -1.74 -1.31 112.91 117.01 2jyc h THR 83 Ca -0.26 -0.93 -0.17 0.00 -0.55 0.00 0.00 66.41 64.50 2jyc h THR 83 Cb 1.08 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.46 2jyc h THR 83 CO 1.04 0.00 -0.14 0.29 -0.25 0.00 0.00 175.52 176.46 2jyc n LYS 84 N -4.79 0.25 0.04 4.72 4.01 -1.26 -4.36 118.16 116.77 2jyc n LYS 84 Ca -0.01 -1.39 -0.10 0.00 -0.51 0.00 0.00 58.31 56.30 2jyc n LYS 84 Cb 0.03 1.23 -0.07 0.00 -0.51 0.00 0.00 35.03 35.71 2jyc n LYS 84 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2jyc h LYS 85 N 0.00 -0.18 -6.21 1.97 1.57 -1.94 -0.71 116.57 111.08 2jyc h LYS 85 Ca -0.11 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 58.11 2jyc h LYS 85 Cb 0.54 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2jyc h LYS 85 CO 0.16 0.26 -0.29 1.03 -0.57 0.00 0.00 179.45 180.04 2jyc s ARG 86 N -3.15 3.62 0.40 3.15 1.81 -1.26 -3.26 118.95 120.26 2jyc s ARG 86 Ca -0.12 -0.08 0.21 0.00 -1.72 0.00 0.00 55.73 54.01 2jyc s ARG 86 Cb 0.00 -2.82 0.78 0.00 -0.45 0.00 0.00 34.95 32.46 2jyc s ARG 86 CO 0.45 0.44 1.78 0.00 -0.68 0.00 0.00 175.30 177.28 2jyc h ALA 87 N 2.67 1.02 -0.21 2.13 0.00 -1.96 -2.15 119.26 120.76 2jyc h ALA 87 Ca -0.46 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.16 2jyc h ALA 87 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jyc h ALA 87 CO 0.72 0.40 0.00 0.43 0.00 0.00 0.00 179.25 180.79 2jyc n SER 88 N -3.50 1.87 -4.79 0.00 7.64 -1.26 -4.85 113.62 108.73 2jyc n SER 88 Ca -0.00 -1.77 -0.37 0.00 1.01 0.00 0.00 58.87 57.74 2jyc n SER 88 Cb 0.47 -0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.47 2jyc n SER 88 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jyc s HIS 89 N -1.73 3.70 -0.12 1.43 3.76 -0.81 -5.03 115.29 116.49 2jyc s HIS 89 Ca 0.32 1.71 -0.16 0.00 -0.15 0.00 0.00 55.06 56.78 2jyc s HIS 89 Cb 0.17 -2.87 -0.05 0.00 1.11 0.00 0.00 32.58 30.95 2jyc s HIS 89 CO 0.26 0.25 0.41 -1.59 -0.85 0.00 0.00 174.74 173.22 2jyc s LYS 90 N -1.98 4.26 0.53 1.40 0.00 -1.26 -4.87 119.74 117.83 2jyc s LYS 90 Ca 0.48 0.33 -0.22 0.00 0.00 0.00 0.00 55.97 56.56 2jyc s LYS 90 Cb -0.19 -3.41 -0.05 0.00 0.00 0.00 0.00 37.83 34.18 2jyc s LYS 90 CO 0.24 0.25 1.29 -1.25 0.00 0.00 0.00 175.35 175.87 2jyc s PRO 91 N 0.37 3.26 0.25 1.78 0.04 -1.26 -4.94 135.00 134.49 2jyc s PRO 91 Ca 0.23 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.39 2jyc s PRO 91 Cb -0.15 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 2jyc s PRO 91 CO 0.08 -1.04 0.23 0.95 0.04 0.00 0.00 177.00 177.27 2jyc s THR 92 N -1.40 4.64 0.18 1.26 -4.23 -1.26 -4.95 115.64 109.87 2jyc s THR 92 Ca 0.71 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.80 2jyc s THR 92 Cb -0.36 -3.51 0.09 0.00 1.34 0.00 0.00 72.50 70.06 2jyc s THR 92 CO 0.42 -0.34 1.77 1.88 -0.54 0.00 0.00 174.62 177.81 2jyc h TYR 93 N 1.43 0.91 0.04 3.99 0.05 -1.98 0.29 116.97 121.70 2jyc h TYR 93 Ca -0.49 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.24 2jyc h TYR 93 Cb 1.24 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.69 2jyc h TYR 93 CO 0.53 0.69 -0.02 0.93 -1.05 0.00 0.00 178.16 179.25 2jyc h GLU 94 N 0.87 -0.05 -0.34 4.88 5.08 -1.99 0.25 114.58 123.29 2jyc h GLU 94 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2jyc h GLU 94 Cb 0.13 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2jyc h GLU 94 CO -0.03 -0.03 0.18 -0.91 -1.00 0.00 0.00 179.01 177.22 2jyc h ASN 95 N -0.05 0.43 -0.22 1.42 4.21 -1.87 -2.24 115.58 117.26 2jyc h ASN 95 Ca -0.01 -0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.39 2jyc h ASN 95 Cb 0.04 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 2jyc h ASN 95 CO 0.01 0.40 0.05 0.25 -1.29 0.00 0.00 177.43 176.85 2jyc h LEU 96 N 0.42 0.33 -1.55 1.61 5.85 -0.18 -2.49 115.31 119.32 2jyc h LEU 96 Ca 0.12 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2jyc h LEU 96 Cb 0.07 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2jyc h LEU 96 CO -0.02 0.48 0.05 0.06 -0.34 0.00 0.00 178.44 178.68 2jyc h GLN 97 N 0.16 0.35 -0.38 1.25 3.07 -0.44 -1.54 115.11 117.58 2jyc h GLN 97 Ca 0.07 -0.05 -0.08 0.00 0.09 0.00 0.00 58.65 58.68 2jyc h GLN 97 Cb 0.28 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.76 2jyc h GLN 97 CO 0.00 0.33 -0.11 0.87 0.09 0.00 0.00 178.83 180.02 2jyc h LYS 98 N 0.35 0.66 -0.49 0.06 1.57 -1.12 0.31 116.57 117.92 2jyc h LYS 98 Ca 0.08 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 2jyc h LYS 98 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jyc h LYS 98 CO -0.00 0.75 -0.20 0.66 -0.57 0.00 0.00 179.45 180.09 2jyc h SER 99 N 0.60 1.00 -0.79 0.86 4.64 -0.87 -1.32 113.55 117.68 2jyc h SER 99 Ca 0.11 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 2jyc h SER 99 Cb 0.54 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 2jyc h SER 99 CO 0.03 1.16 0.44 -0.07 -0.87 0.00 0.00 176.83 177.53 2jyc h LEU 100 N 0.85 0.99 -0.04 5.97 -0.00 -0.78 0.13 115.31 122.43 2jyc h LEU 100 Ca 0.11 -0.09 0.03 0.00 -0.00 0.00 0.00 57.88 57.93 2jyc h LEU 100 Cb 0.77 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 2jyc h LEU 100 CO 0.06 0.80 -0.13 -0.33 -0.00 0.00 0.00 178.44 178.84 2jyc h GLU 101 N 1.10 -0.19 -0.66 1.13 4.39 -0.16 0.28 114.58 120.47 2jyc h GLU 101 Ca 0.28 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 2jyc h GLU 101 Cb 0.03 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2jyc h GLU 101 CO -0.05 -0.13 0.23 0.00 -1.16 0.00 0.00 179.01 177.90 2jyc h ALA 102 N 0.79 0.87 -0.33 3.43 0.00 -1.01 -1.72 119.26 121.29 2jyc h ALA 102 Ca 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jyc h ALA 102 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jyc h ALA 102 CO -0.15 0.52 0.12 1.98 0.00 0.00 0.00 179.25 181.72 2jyc h MET 103 N 0.95 0.50 -0.75 0.00 1.85 -0.33 -1.38 114.93 115.76 2jyc h MET 103 Ca 0.22 -0.10 -0.06 0.00 -0.61 0.00 0.00 59.70 59.15 2jyc h MET 103 Cb 0.27 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.19 2jyc h MET 103 CO -0.01 0.51 0.25 1.57 -0.40 0.00 0.00 176.91 178.83 2jyc h LYS 104 N 0.38 1.16 -0.90 0.39 2.10 -0.35 -2.32 116.57 117.03 2jyc h LYS 104 Ca 0.11 -0.24 -0.01 0.00 -2.00 0.00 0.00 60.65 58.51 2jyc h LYS 104 Cb 0.21 -0.17 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 2jyc h LYS 104 CO -0.01 0.98 0.52 1.03 -2.00 0.00 0.00 179.45 179.96 2jyc h SER 105 N 1.12 1.11 -0.17 7.07 0.87 -1.00 -0.97 113.55 121.58 2jyc h SER 105 Ca 0.24 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 2jyc h SER 105 Cb 0.29 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2jyc h SER 105 CO -0.01 0.87 -0.14 -0.74 -0.53 0.00 0.00 176.83 176.29 2jyc h HIS 106 N 1.25 0.46 -0.40 2.24 -0.00 -1.08 -3.08 115.15 114.55 2jyc h HIS 106 Ca 0.32 -0.13 0.02 0.00 -0.00 0.00 0.00 60.37 60.58 2jyc h HIS 106 Cb -0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 2jyc h HIS 106 CO 0.01 0.75 0.27 0.00 -0.00 0.00 0.00 177.93 178.95 2jyc h LEU 108 N 0.48 0.96 -0.07 0.00 3.38 -1.13 0.14 115.31 119.08 2jyc h LEU 108 Ca 0.16 -0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 2jyc h LEU 108 Cb 0.03 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.55 2jyc h LEU 108 CO -0.04 0.78 -0.98 0.11 0.09 0.00 0.00 178.44 178.40 2jyc h LYS 109 N 1.06 0.64 0.00 1.13 1.57 -1.15 -3.30 116.57 116.52 2jyc h LYS 109 Ca 0.27 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2jyc h LYS 109 Cb 0.04 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2jyc h LYS 109 CO -0.04 1.26 -0.98 0.27 -0.57 0.00 0.00 179.45 179.39 2jyc n ASN 110 N -3.84 0.77 -0.06 0.86 0.23 -0.80 -4.97 115.26 107.45 2jyc n ASN 110 Ca -0.09 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 2jyc n ASN 110 Cb 0.85 0.49 0.00 0.00 -2.08 0.00 0.00 39.78 39.05 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jyc n GLY 111 N 1.23 1.29 3.62 4.83 0.00 0.28 -5.06 105.19 111.38 2jyc n GLY 111 Ca 0.01 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2jyc n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jyc s VAL 112 N -2.11 5.23 -0.06 1.61 1.01 0.07 -4.91 120.40 121.24 2jyc s VAL 112 Ca 0.00 0.46 0.09 0.00 0.00 0.00 0.00 61.98 62.53 2jyc s VAL 112 Cb 0.00 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.88 2jyc s VAL 112 CO 0.00 0.21 1.03 0.35 0.00 0.00 0.00 175.10 176.70 2jyc n THR 113 N 4.89 1.24 -3.70 3.92 -2.24 -1.26 -4.52 114.28 112.61 2jyc n THR 113 Ca -0.10 -1.42 -0.18 0.00 -2.27 0.00 0.00 64.05 60.07 2jyc n THR 113 Cb 0.51 0.18 -0.17 0.00 -2.10 0.00 0.00 70.33 68.75 2jyc n THR 113 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jyc s ASP 114 N -1.83 0.79 0.02 3.42 1.11 -1.25 0.59 116.67 119.52 2jyc s ASP 114 Ca 0.16 0.09 0.02 0.00 0.18 0.00 0.00 52.55 52.99 2jyc s ASP 114 Cb 0.14 -0.09 -0.02 0.00 1.07 0.00 0.00 42.92 44.02 2jyc s ASP 114 CO 0.01 -0.21 -0.07 -0.76 1.18 0.00 0.00 175.17 175.32 2jyc s LEU 115 N 1.85 2.14 -0.05 1.23 1.43 0.50 -0.16 118.68 125.62 2jyc s LEU 115 Ca 0.01 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2jyc s LEU 115 Cb -0.12 -0.25 0.02 0.00 0.03 0.00 0.00 46.19 45.86 2jyc s LEU 115 CO -0.03 -0.07 -0.08 -0.94 0.23 0.00 0.00 176.35 175.46 2jyc s SER 116 N -0.92 1.28 0.12 2.29 1.04 0.82 -0.19 113.70 118.14 2jyc s SER 116 Ca -0.04 -0.20 -0.15 0.00 0.48 0.00 0.00 55.95 56.04 2jyc s SER 116 Cb -0.06 -0.56 0.03 0.00 0.10 0.00 0.00 66.02 65.53 2jyc s SER 116 CO 0.00 0.00 0.39 0.00 0.98 0.00 0.00 173.24 174.61 2jyc s MET 117 N 0.68 1.06 0.51 4.02 0.23 -0.79 -0.28 119.30 124.73 2jyc s MET 117 Ca -0.11 -0.73 -0.05 0.00 -1.03 0.00 0.00 55.69 53.76 2jyc s MET 117 Cb -0.14 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.60 2jyc s MET 117 CO 0.02 -0.41 0.82 -1.25 -2.03 0.00 0.00 175.02 172.16 2jyc s PRO 118 N -3.81 3.34 -0.74 3.16 0.04 -1.26 -0.07 135.00 135.65 2jyc s PRO 118 Ca 0.03 0.12 -0.24 0.00 0.04 0.00 0.00 61.00 60.95 2jyc s PRO 118 Cb 0.02 -2.35 -0.15 0.00 0.04 0.00 0.00 34.50 32.06 2jyc s PRO 118 CO -0.12 -0.36 2.41 2.89 0.04 0.00 0.00 177.00 181.87 2jyc n ARG 119 N -2.35 0.59 -3.06 4.56 -4.01 -1.06 -4.81 116.66 106.52 2jyc n ARG 119 Ca 0.02 -0.41 -0.40 0.00 -1.04 0.00 0.00 57.85 56.02 2jyc n ARG 119 Cb 0.56 -3.09 -0.05 0.00 -3.04 0.00 0.00 32.46 26.84 2jyc n ARG 119 CO 0.00 0.00 0.00 0.96 -3.04 0.00 0.00 177.63 175.55 2jyc s ILE 120 N 11.67 4.96 -0.44 8.89 -4.36 -1.26 -4.09 121.20 136.57 2jyc s ILE 120 Ca 1.03 1.45 -0.01 0.00 -0.26 0.00 0.00 60.65 62.86 2jyc s ILE 120 Cb -0.33 -4.04 0.00 0.00 1.25 0.00 0.00 42.46 39.34 2jyc s ILE 120 CO 0.23 0.30 0.09 0.61 0.24 0.00 0.00 174.94 176.42 2jyc n GLY 121 N 2.86 0.26 3.17 6.27 0.00 -1.26 -4.84 105.19 111.65 2jyc n GLY 121 Ca -0.02 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 2jyc n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc n GLY 123 N 4.66 1.26 2.65 0.00 0.00 -0.31 -4.92 105.19 108.53 2jyc n GLY 123 Ca -0.20 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 2jyc n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jyc s LEU 124 N -0.03 2.72 0.00 0.99 1.43 -0.74 -5.03 118.68 118.02 2jyc s LEU 124 Ca 0.00 -3.03 0.00 0.00 -1.03 0.00 0.00 54.13 50.07 2jyc s LEU 124 Cb 0.00 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.26 2jyc s LEU 124 CO 0.00 -0.20 0.00 -0.67 0.23 0.00 0.00 176.35 175.71 2jyc n ASP 125 N 2.99 0.00 0.11 2.29 2.03 -1.26 -1.45 116.55 121.25 2jyc n ASP 125 Ca 0.18 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.28 2jyc n ASP 125 Cb 0.39 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.64 2jyc n ASP 125 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2jyc h ARG 126 N 0.00 0.39 -6.39 -0.67 2.47 -1.98 -3.46 114.38 104.74 2jyc h ARG 126 Ca 0.00 -0.67 -0.53 0.00 -1.26 0.00 0.00 59.98 57.52 2jyc h ARG 126 Cb 0.00 0.25 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2jyc h ARG 126 CO 0.00 1.30 0.22 -0.48 0.56 0.00 0.00 179.97 181.57 2jyc s LEU 127 N -7.30 4.47 0.07 3.04 2.34 -0.53 -4.96 118.68 115.81 2jyc s LEU 127 Ca -0.09 1.56 -0.00 0.00 0.06 0.00 0.00 54.13 55.66 2jyc s LEU 127 Cb 0.06 -3.34 -0.04 0.00 -0.56 0.00 0.00 46.19 42.30 2jyc s LEU 127 CO 0.90 0.00 -0.04 -1.10 -1.06 0.00 0.00 176.35 175.05 2jyc s GLN 128 N -0.11 0.69 0.41 1.48 -0.21 -1.19 -1.16 119.66 119.56 2jyc s GLN 128 Ca 0.41 -1.26 0.11 0.00 0.02 0.00 0.00 55.36 54.63 2jyc s GLN 128 Cb -0.21 0.09 0.87 0.00 1.00 0.00 0.00 33.01 34.75 2jyc s GLN 128 CO 0.25 -0.09 1.96 2.35 -2.12 0.00 0.00 175.29 177.65 2jyc h TRP 129 N 3.09 0.21 -0.90 0.91 2.91 -1.89 -0.41 115.95 119.87 2jyc h TRP 129 Ca -0.34 -0.02 0.16 0.00 1.13 0.00 0.00 58.89 59.82 2jyc h TRP 129 Cb 1.15 -0.06 -0.10 0.00 -0.51 0.00 0.00 29.16 29.64 2jyc h TRP 129 CO 0.55 0.30 0.49 1.49 -1.03 0.00 0.00 178.44 180.23 2jyc h GLU 130 N 0.20 0.64 0.18 2.65 4.81 -1.96 0.50 114.58 121.60 2jyc h GLU 130 Ca 0.04 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 2jyc h GLU 130 Cb 0.29 -0.14 0.03 0.00 0.63 0.00 0.00 28.75 29.56 2jyc h GLU 130 CO 0.01 0.42 -1.26 -0.91 -0.73 0.00 0.00 179.01 176.55 2jyc h ASN 131 N 0.66 0.80 -0.20 1.04 2.35 -1.50 -3.34 115.58 115.39 2jyc h ASN 131 Ca 0.50 -0.88 -0.05 0.00 -0.55 0.00 0.00 56.30 55.33 2jyc h ASN 131 Cb 0.74 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2jyc h ASN 131 CO -0.38 1.61 -0.05 0.58 -1.65 0.00 0.00 177.43 177.54 2jyc h VAL 132 N 0.11 1.29 -0.60 2.81 2.07 -0.40 -3.10 116.25 118.44 2jyc h VAL 132 Ca -0.21 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.37 2jyc h VAL 132 Cb 1.96 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 33.23 2jyc h VAL 132 CO 0.24 0.31 0.22 -1.28 0.02 0.00 0.00 177.57 177.08 2jyc h SER 133 N 0.10 0.20 -0.15 0.57 0.87 -0.20 0.59 113.55 115.54 2jyc h SER 133 Ca 0.05 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2jyc h SER 133 Cb 0.50 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2jyc h SER 133 CO 0.02 0.12 0.08 0.00 -0.53 0.00 0.00 176.83 176.52 2jyc h ALA 134 N 1.42 0.18 -0.62 6.23 0.00 -1.68 -1.53 119.26 123.26 2jyc h ALA 134 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2jyc h ALA 134 Cb 0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jyc h ALA 134 CO -0.31 -0.36 0.28 1.98 0.00 0.00 0.00 179.25 180.84 2jyc h MET 135 N 0.17 0.89 -0.58 0.00 -1.53 -1.22 -1.03 114.93 111.64 2jyc h MET 135 Ca 0.06 -0.12 -0.04 0.00 -3.44 0.00 0.00 59.70 56.16 2jyc h MET 135 Cb 0.01 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 30.87 2jyc h MET 135 CO -0.04 0.70 0.20 0.82 0.14 0.00 0.00 176.91 178.74 2jyc h ILE 136 N 0.88 1.23 -0.00 1.77 2.04 -0.53 0.23 117.51 123.14 2jyc h ILE 136 Ca 0.21 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 2jyc h ILE 136 Cb 0.12 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2jyc h ILE 136 CO -0.03 0.29 -0.22 -0.33 0.00 0.00 0.00 178.15 177.87 2jyc h GLU 137 N 0.80 0.00 -0.04 2.37 5.08 -0.64 0.15 114.58 122.30 2jyc h GLU 137 Ca 0.19 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2jyc h GLU 137 Cb 0.25 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jyc h GLU 137 CO -0.01 0.22 -0.01 0.93 -1.00 0.00 0.00 179.01 179.14 2jyc h GLU 138 N 0.00 0.07 -0.41 2.33 4.39 -0.38 -2.59 114.58 117.99 2jyc h GLU 138 Ca -0.00 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2jyc h GLU 138 Cb 0.38 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2jyc h GLU 138 CO 0.03 0.42 0.03 0.28 -1.16 0.00 0.00 179.01 178.62 2jyc h VAL 139 N -0.28 1.25 0.00 3.13 2.07 -0.62 -3.11 116.25 118.69 2jyc h VAL 139 Ca 0.01 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2jyc h VAL 139 Cb 0.40 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2jyc h VAL 139 CO 0.00 0.32 0.00 0.49 0.02 0.00 0.00 177.57 178.41 2jyc n PHE 140 N -4.47 0.43 -1.53 1.57 3.72 0.48 -4.88 117.46 112.76 2jyc n PHE 140 Ca -0.01 0.16 -0.47 0.00 -0.05 0.00 0.00 57.45 57.09 2jyc n PHE 140 Cb 0.26 -0.76 -0.03 0.00 -0.94 0.00 0.00 39.48 38.02 2jyc n PHE 140 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2jyc n GLU 141 N -1.88 0.90 -0.90 -1.08 0.28 -0.98 -1.50 120.64 115.49 2jyc n GLU 141 Ca 0.03 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 2jyc n GLU 141 Cb 0.22 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.47 2jyc n GLU 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jyc n ALA 142 N 0.51 0.00 -0.13 -1.84 0.00 -1.26 -4.82 120.51 112.96 2jyc n ALA 142 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 2jyc n ALA 142 Cb 0.28 -0.71 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 2jyc n ALA 142 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jyc n THR 143 N -2.29 1.51 -1.11 0.00 -2.24 -0.56 -5.02 114.28 104.58 2jyc n THR 143 Ca 0.00 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.26 2jyc n THR 143 Cb 0.17 -1.64 -0.02 0.00 -2.10 0.00 0.00 70.33 66.74 2jyc n THR 143 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jyc n ASP 144 N -3.74 -3.51 -4.73 3.42 8.00 -1.25 -5.01 116.55 109.73 2jyc n ASP 144 Ca -0.50 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 54.68 2jyc n ASP 144 Cb 0.94 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jyc s ILE 145 N -2.12 3.40 0.12 0.53 1.01 -1.26 -4.99 121.20 117.89 2jyc s ILE 145 Ca 0.00 1.11 -0.27 0.00 0.00 0.00 0.00 60.65 61.49 2jyc s ILE 145 Cb 0.00 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.69 2jyc s ILE 145 CO 0.00 0.15 0.85 -0.54 0.00 0.00 0.00 174.94 175.40 2jyc s LYS 146 N 0.20 4.63 -0.08 2.79 -0.14 0.20 -4.78 119.74 122.56 2jyc s LYS 146 Ca 0.57 1.26 -0.00 0.00 -1.36 0.00 0.00 55.97 56.44 2jyc s LYS 146 Cb -0.35 -3.33 0.02 0.00 -1.68 0.00 0.00 37.83 32.50 2jyc s LYS 146 CO 0.35 0.38 -0.04 0.42 -0.76 0.00 0.00 175.35 175.70 2jyc s ILE 147 N -0.50 0.70 -0.22 2.17 1.01 -1.19 -0.37 121.20 122.79 2jyc s ILE 147 Ca 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 2jyc s ILE 147 Cb -0.23 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2jyc s ILE 147 CO 0.27 0.30 -0.08 -0.89 0.00 0.00 0.00 174.94 174.54 2jyc s THR 148 N 1.58 3.00 -0.19 2.92 2.01 0.73 -1.95 115.64 123.74 2jyc s THR 148 Ca 0.00 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.22 2jyc s THR 148 Cb -0.13 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 2jyc s THR 148 CO -0.05 0.39 0.05 -0.69 -0.69 0.00 0.00 174.62 173.64 2jyc s VAL 149 N 1.41 4.66 -0.22 3.82 1.01 0.95 -1.88 120.40 130.14 2jyc s VAL 149 Ca 0.04 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 2jyc s VAL 149 Cb -0.15 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2jyc s VAL 149 CO -0.05 0.45 0.46 -0.31 0.00 0.00 0.00 175.10 175.64 2jyc s TYR 150 N 0.49 3.34 -0.13 5.22 2.02 0.89 -0.37 117.35 128.82 2jyc s TYR 150 Ca 0.02 0.66 -0.14 0.00 -0.37 0.00 0.00 57.07 57.24 2jyc s TYR 150 Cb -0.13 -2.61 -0.05 0.00 -0.40 0.00 0.00 41.96 38.77 2jyc s TYR 150 CO 0.01 -0.11 0.33 0.95 -1.57 0.00 0.00 175.55 175.16 2jyc s THR 151 N 1.67 5.26 -0.94 -0.71 -4.23 -0.13 -2.56 115.64 113.99 2jyc s THR 151 Ca 0.21 0.63 0.08 0.00 -1.18 0.00 0.00 61.69 61.42 2jyc s THR 151 Cb -0.15 -3.66 0.06 0.00 1.34 0.00 0.00 72.50 70.09 2jyc s THR 151 CO 0.09 0.41 0.74 0.18 -0.54 0.00 0.00 174.62 175.50